#
#     L. Whitmore, A.A. Sokol, C.R.A. Catlow.
#    "Surface structure of zinc oxide (10-10),
#     using an atomistic, semi-infinite treatment"
#     Surface Science 498 (2002) 135-146.
#
# Notes from authors:
#      - these potentials may not directly be transferable to other 
#        materials, as oxygen parameters have been optimised for ZnO
#      - when using "Marvin", divide k4 spring constant by 12 
#
# Update
# 2/5/19 Corrected charges for O core and O shel (originally had
# O  core   3.754415 and O  shel  -1.754415, which clearly could 
# not be okay as sum /= -2.0
#
buck     
Zn  core  O   shel    592.342818   0.352159  12.896893  0.000  2.200
Zn  core  O   shel    157.297013   0.429673   5.815914  3.100  3.300
Zn  core  O   shel    912.517869   0.078935  11.723055  3.600 12.000
lenn  12  6							       
Zn  core  O   shel    316.435204   0.000000             0.000  2.200
polynomial
5
Zn  core  O   shel     111.901725777583660   -158.727040738912960  &
 89.6573637489237000   -24.9863541058657970   3.39963184435828180  &
 -0.177932874662164810                                  2.200  3.100
polynomial
5
Zn  core  O   shel     64102.3540572686180   -93216.1702290363320  &
54188.807723122212    -15741.0709041245460     2284.87336213747540 &
 -132.581025644905620                                   3.300  3.60
# O -O
buck
O  shel  O shel  23674.698081   0.226404  33.476469     0.000 12.000
spring
O   55.518883    31506.808344
species 3
O  core   1.754415
O  shel  -3.754415
Zn core   2.000000